(E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile
TL;DR: (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile (CAS 879346-80-2) is a chemical compound with molecular formula C15H10BrNO3 and molecular weight 330.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromo-4-hydroxyphenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile
Also Known As: (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile, 3-(3-bromo-4-hydroxyphenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile, (E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile, (E)-3-(3-bromo-4-hydroxyphenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile, (E)-3-(3-bromo-4-hydroxyphenyl)-2-[(2-methyl-3-furanyl)-oxomethyl]-2-propenenitrile
| Molecular Formula | C15H10BrNO3 |
|---|---|
| Molecular Weight | 330.98 g/mol |
| LogP | 3.846 |
| Topological Polar Surface Area | 74.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.9844 |
| Heavy Atoms | 20 |
| Complexity | 737.81714 |
Chemical Identifiers
| CAS Number | 879346-80-2 |
|---|---|
| SMILES | CC1=C(C=CO1)C(=O)/C(=C/C2=CC(=C(C=C2)O)Br)/C#N |
Product Overview
(E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile (CAS 879346-80-2), with molecular formula C15H10BrNO3 and molecular weight 330.98 g/mol. IUPAC: (E)-3-(3-bromo-4-hydroxyphenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile
Property Insights of (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile
The XLogP value of 3.846 indicates that (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile?
The CAS number of (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile is 879346-80-2.
What is the molecular formula of (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile?
The molecular formula of (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile is C15H10BrNO3.
What is the molecular weight of (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile?
The molecular weight of (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile is 330.98 g/mol.
Where can I buy (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile?
You can request a quote for (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.